2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine

C21H25N3O — CID 113232517

IUPAC2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(-c2ccc(OCc3ccccc3)cc2)c(N)n1C(C)C
InChIInChI=1S/C21H25N3O/c1-4-19-23-20(21(22)24(19)15(2)3)17-10-12-18(13-11-17)25-14-16-8-6-5-7-9-16/h5-13,15H,4,14,22H2,1-3H3
InChIKeyUYWDJMWPQGKDMK-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.85
Rot. Bonds6

About 2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine

2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 113232517) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine
PubChem CID113232517
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(-c2ccc(OCc3ccccc3)cc2)c(N)n1C(C)C
InChIInChI=1S/C21H25N3O/c1-4-19-23-20(21(22)24(19)15(2)3)17-10-12-18(13-11-17)25-14-16-8-6-5-7-9-16/h5-13,15H,4,14,22H2,1-3H3
InChIKeyUYWDJMWPQGKDMK-UHFFFAOYSA-N
XLogP4.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 55048634
2-ethyl-4-(4-phenylphenyl)imidazole-1,5-diamine
CID 62483793
methyl 3-amino-6-bromo-2-(4-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 86663009
3,6-bis(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)pyridine
CID 18923794
2-ethyl-6-phenylmethoxyquinolin-4-amine
CID 62204129
4-phenylmethoxyaniline
CID 159966727
2-ethyl-3-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)imidazol-4-amine
CID 66131524
1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 52942202
methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
CID 170459078
5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 116811767
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine (CID 113232517) is 2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine is CCc1nc(-c2ccc(OCc3ccccc3)cc2)c(N)n1C(C)C.
What is the InChIKey of 2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is UYWDJMWPQGKDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-4-19-23-20(21(22)24(19)15(2)3)17-10-12-18(13-11-17)25-14-16-8-6-5-7-9-16/h5-13,15H,4,14,22H2,1-3H3.
What are the key properties of 2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine?
2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 335.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-phenylmethoxyphenyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 113232517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).